2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride

C10H20Cl2N4 — CID 130841205

IUPAC2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C10H18N4.2ClH/c11-3-8-14-6-1-9(2-7-14)10-12-4-5-13-10;;/h4-5,9H,1-3,6-8,11H2,(H,12,13);2*1H
InChIKeyMOVOATDNQZQVFU-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.39
Rot. Bonds3

About 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride

2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride (PubChem CID 130841205) has the molecular formula C10H20Cl2N4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
PubChem CID130841205
Molecular FormulaC10H20Cl2N4
Molecular Weight267.20 g/mol
Exact Mass266.11
IUPAC Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C10H18N4.2ClH/c11-3-8-14-6-1-9(2-7-14)10-12-4-5-13-10;;/h4-5,9H,1-3,6-8,11H2,(H,12,13);2*1H
InChIKeyMOVOATDNQZQVFU-UHFFFAOYSA-N
XLogP1.39
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride (CID 130841205) is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride is Cl.Cl.NCCN1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
The InChIKey is MOVOATDNQZQVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.2ClH/c11-3-8-14-6-1-9(2-7-14)10-12-4-5-13-10;;/h4-5,9H,1-3,6-8,11H2,(H,12,13);2*1H.
What are the key properties of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride has a molecular weight of 267.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 130841205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).